Product Name

  • Name

    3-Fluorophenyl isothiocyanate

  • EINECS 206-967-7
  • CAS No. 404-72-8
  • Article Data22
  • CAS DataBase
  • Density 1.15 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H4 F N S
  • Boiling Point 227.8 °C at 760 mmHg
  • Molecular Weight 153.18
  • Flash Point 85 °C
  • Transport Information UN 3265
  • Appearance yellow liquid
  • Safety Poison by intravenous route. When heated to decomposition it emits very toxic fumes of F, NOx, and SOx. See also THIOCYANATES and FLUORIDES.
  • Risk Codes 20/21/22-34-36/37-36/37/38
  • Molecular Structure Molecular Structure of 404-72-8 (3-Fluorophenyl isothiocyanate)
  • Hazard Symbols CorrosiveCToxicTIrritantXiHarmfulXn
  • Synonyms Isothiocyanicacid, m-fluorophenyl ester (7CI,8CI); 1-Fluoro-3-isothiocyanatobenzene;3-Fluorophenyl isothiocyanate; NSC 78432; m-Fluorophenyl isothiocyanate
  • PSA 44.45000
  • LogP 2.56000

3-Fluorophenyl isothiocyanate Chemical Properties

Chemical Name: 3-Fluorophenyl isothiocyanate
IUPAC NAME: 1-Fluoro-3-isothiocyanatobenzene
CAS No.: 404-72-8
EINECS: 206-967-7
RTECS: NX8750000
Molecular Formula: C7H4FNS
Molecular Weight: 153.18 g/mol
Density: 1.15 g/cm3 
Flash Point: 85 °C
Boiling Point: 227.8 °C at 760 mmHg 
Storage temp.: 0-6°C
Sensitive: Moisture Sensitive
Following is the structure of 3-Fluorophenyl isothiocyanate (404-72-8):


Product Categories about 3-Fluorophenyl isothiocyanate (404-72-8) are Phenyl isocyanate&Phenyl isothiocyanate ; Organic Building Blocks ; Sulfur Compounds ; Thiocyanates/Isothiocyanates
The chemical synonymous of 3-Fluorophenyl isothiocyanate (404-72-8) are Timtec-Bb Sbb006700 ; 1-Fluoro-3-isothiocyanato-benzen ; Isothiocyanic acid, m-fluorophenyl ester ; Isothiocyanicacid,m-fluorophenylester ; M-fluorophenyl isothiocyanate ; 3-Fluorophenyl isothiocyanate ; 1-Fluoro-3-isothiocyanato-benzene ; 3-Fluoro-3-isothiocyanato-benzene

3-Fluorophenyl isothiocyanate Toxicity Data With Reference

1.    

ivn-mus LD50:56 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#00949 .

3-Fluorophenyl isothiocyanate Consensus Reports

Reported in EPA TSCA Inventory.

3-Fluorophenyl isothiocyanate Safety Profile

Poison by intravenous route. When heated to decomposition it emits very toxic fumes of F, NOx, and SOx. See also THIOCYANATES and FLUORIDES.
Hazard Note: Toxic/Irritant
Hazard Codes:
Xn: Harmful
Xi: Irritant
C: Corrosive
T: Toxic
Risk Statements about 3-Fluorophenyl isothiocyanate (404-72-8):
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38 Irritating to eyes, respiratory system and skin. 
Safety Statements about 3-Fluorophenyl isothiocyanate (404-72-8):
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection. 
Attention:
1. Storage: Keep away from sources of ignition. Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4°C/39°F.)
2. Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.

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